Description
The PNNL-PFAS database was constructed to provide quantitative infrared spectra of per- and polyfluoroalkyl substances (PFAS) in the gas phase. These fluorine-rich, organic compounds have been used as non-flammable solvents, cleaning agents, and in the manufacture of a diverse variety of consumer products. Due to their widespread use and relative inertness, PFAS have accumulated in the natural environment, and exposure to these chemicals may be linked to harmful health effects. Development of methods for detecting and remediating PFAS contamination are thus active areas of research. This database supports PFAS investigations where gas-phase infrared signatures may be measured (e.g., during treatment by thermal decomposition). The database currently contains infrared spectra for 15 compounds; these were selected based on the potential of these compounds being thermal degradation products of the manufactured chemicals mentioned above.
• Additional compounds will be added to the database in the future.
• Additional information about the database may be obtained from: Baker, Tracy J., Russell G. Tonkyn, Christopher J. Thompson, Megan K. Dunlap, Paul G. Koster van Groos, Nikita A. Thakur, Michael J. Wilhelm, Tanya L. Myers, and Timothy J. Johnson. “An Infrared Spectral Database for Gas-Phase Quantitation of Volatile per- and Polyfluoroalkyl Substances (PFAS).” Journal of Quantitative Spectroscopy and Radiative Transfer 295 (January 1, 2023): 108420. https://doi.org/10.1016/j.jqsrt.2022.108420.